General Information of the Compound
| Compound ID |
CP0862068
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| Compound Name |
(S)-1-cyclooctyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol
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| Structure |
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| Formula |
C25H35NO2
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| Molecular Weight |
381.56
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| Canonical SMILES |
CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2
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| InChI |
InChI=1S/C25H35NO2/c1-28-24(20-26-18-14-21(24)15-19-26)16-17-25(27,23-12-8-5-9-13-23)22-10-6-3-2-4-7-11-22/h5,8-9,12-13,21-22,27H,2-4,6-7,10-11,14-15,18-20H2,1H3/t24-,25+/m1/s1
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| InChIKey |
XELSLLUJXUXNOB-RPBOFIJWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3